SCHEMBL10120472

SCHEMBL10120472

CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@](C)(O)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ BTN3A1 O00481 6/20 0.40
▸ TMPRSS2 O15393 1/20 0.32
▸ RIPK1 Q13546 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18293558 1.00 CYP3A4 (0.45) CYP3A4CYP2C9BTN3A1TMPRSS2RIPK1
SCHEMBL10142516 1.00 CYP3A4 (0.45) CYP3A4CYP2C9BTN3A1TMPRSS2RIPK1
SCHEMBL10142564 0.95 CYP3A4 (0.39) CYP3A4CYP2C9BTN3A1TMPRSS2RIPK1
SCHEMBL15340437 0.95 CYP3A4 (0.39) CYP3A4CYP2C9BTN3A1TMPRSS2RIPK1
SCHEMBL12454848 0.94 CYP3A4 (0.39) CYP3A4CYP2C9BTN3A1TMPRSS2RIPK1
SCHEMBL15340432 0.94 CYP3A4 (0.38) CYP3A4CYP2C9BTN3A1
SCHEMBL10142570 0.94 CYP3A4 (0.38) CYP3A4CYP2C9BTN3A1
SCHEMBL10149550 0.94 CYP3A4 (0.47) CYP3A4CYP2C9BTN3A1RIPK1
Gs-6620 SCHEMBL14845666 0.92 CYP3A4 (0.41) CYP3A4CYP2C9BTN3A1RIPK1
Gs-6620 SCHEMBL18293556 0.92 CYP3A4 (0.41) CYP3A4CYP2C9BTN3A1RIPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090642-B2 Methods for the preparation of diasteromerically pure phosphoramidate prodrugs GILEAD SCIENCES, INC. (US) 2015-07-28 — — US disclosed
EP-2805960-A1 Methods for the preparation of diasteromerically pure phosphoramidate prodrugs GILEAD SCIENCES, INC. (US) 2014-11-26 — — EP disclosed
EP-2596004-B1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS GILEAD SCIENCES INC (US) 2014-09-10 — — EP disclosed
US-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS GILEAD SCIENCES, INC. (US) 2013-10-24 — — US disclosed
WO-2012012465-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS CLARKE, MICHAEL, O'NEIL HANRAHAN (US) 2012-01-26 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130281686-A1 METHODS FOR THE PREPARATION OF DIASTEROMERICALLY PURE PHOSPHORAMIDATE PRODRUGS PAICS, DPYD, PNP CYP3A4 162/4885CYP2C9 156/4885BTN3A1 4302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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